Cc-11006
기본 정보
- CAS
444287-44-9- 표준 SMILES
O=C1CCC(N2C(=O)c3cccc(CNC(=O)C4CC4)c3C2=O)C(=O)N1- InChIKey
ZBXHNCURDISBRO-UHFFFAOYSA-N- 분자식
- C18H17N3O5
- 평균 분자량
- 355.3 g/mol
- 단동위원소 질량
- 355.11682065
개요
Immunomodulatory Agent CC-11006 is a proprietary, orally available, small molecule and thalidomide analog, with potential immunomodulating and antineoplastic activity. CC-11006 appears to have a similar mechanism to thalidomide and may modulate the expression of proinflammatory and regulatory cytokines.
이름 및 식별자
- 우선 이름
- Cc-11006
- IUPAC
- N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide
- 영어명
- N-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)methyl)cyclopropanecarboxamide
- 분자식
- C18H17N3O5
- 분자량
- 355.34
이름 및 동의어
CC-11006UNII-6DC9826KIMCC 11006CYCLOPROPANECARBOXAMIDE, N-((2-(2,6-DIOXO-3-PIPERIDINYL)-2,3-DIHYDRO-1,3-DIOXO-1H-ISOINDOL-4-YL)METHYL)-CYCLOPROPANECARBOXYLIC ACID (2-(2,6-DIOXOPIPERIDIN-3-YL)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-4-YL-METHYL)-AMIDEN-((2-(2,6-DIOXOPIPERIDIN-3-YL)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-4-YL)METHYL)CYCLOPROPANECARBOXAMIDERefChem:124077Immunomodulatory Agent CC-11006CC-11006-MDS-001934481-60-4444287-44-9N-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)methyl)cyclopropanecarboxamide
이름 더 보기
Cyclopropanecarboxamide, N-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]methyl]-
6DC9826KIMN-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamideSCHEMBL4710467CHEMBL4297459SCHEMBL29414629ZBXHNCURDISBRO-UHFFFAOYSA-NBDBM511655US11059801, Compound D-22
데이터베이스 식별자
- CAS
444287-44-9- PubChem CID
- 10155135
- ChEMBL
CHEMBL4297459- UNII
- 6DC9826KIM
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 686
물리화학적 성질
- 끓는 점
- 726.4 · 726.4±60.0 °C(Predicted)
- 밀도
- 1.503 · 1.503±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.71 · 10.71±0.40(Predicted)
관련 반응
1건
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